NP-MRD: Showing NP-Card for Rapanone (NP0051638)

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Record Information

Version

2.0

Created at

2022-04-27 22:55:56 UTC

Updated at

2022-04-27 22:55:56 UTC

NP-MRD ID

NP0051638

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rapanone

Description

Rapanone belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. Rapanone is found in Aegiceras corniculatum, Ardisia crenata, Ardisia japonica, Ardisia oxyphylla, Ardisia spp., Badula barthesia, Connarus monocarpus, Embelia ribes, Embelia schimperi, Heliotropium indicum Ardisia crenata , Myrsine spp., Oxalis purpurata, Rapanea laetevirens, Rapanea maximowiczii, Rourea santaloides and Tapeinosperma pseudojambosa. Rapanone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 53  0  0  0  0  0  0  0  0999 V2000
    7.5560    1.0305   -0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    0.2565   -1.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1314   -0.9427   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   -1.7605   -0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -0.9637   -0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604   -0.4375    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    0.3833    0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304   -0.4688    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    0.2299    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    0.6845    1.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565    1.4891    1.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2618    0.9164    1.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5577    0.8013    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8837    0.1868   -0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096   -0.2236    0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5359   -0.1762    2.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0052   -0.8214    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8015   -1.2174    1.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3573   -0.9520   -1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5049   -0.5291   -2.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8620   -0.6630   -3.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2361    0.0573   -1.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4075    0.4680   -2.5865 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783    0.5792    0.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687    0.9687   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323    2.1089   -0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4802    0.0005   -2.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4273    0.9081   -1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681   -0.6063    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205   -1.6011   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327   -2.5767   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273   -2.2194   -1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5738   -0.1860   -1.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.7231   -0.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773   -1.1939    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666    0.2749    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    1.2129   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056    0.8772    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157   -0.7597   -0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731   -1.4152    0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4629    1.0557   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400   -0.6280   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1711    1.2152    2.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -0.2616    2.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    1.6859    3.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116    2.5248    1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3237   -0.0819    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133    1.5191    1.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181    0.3954   -0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7216    1.9014   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1887    0.4368    2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2884   -1.3813   -1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8251   -0.3783   -3.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 14  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 16 51  1  0
 19 52  1  0
 21 53  1  0
M  END


  Mrv1533004251509252D          

 23 23  0  0  0  0            999 V2000
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0051638

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3

> <INCHI_KEY>
AMKNOBHCKRZHIO-UHFFFAOYSA-N

> <FORMULA>
C19H30O4

> <MOLECULAR_WEIGHT>
322.445

> <EXACT_MASS>
322.214409446

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
38.63585995177176

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
5.16

> <JCHEM_LOGP>
5.717172917999999

> <ALOGPS_LOGS>
-5.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.671460516425467

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.363080437337704

> <JCHEM_PKA_STRONGEST_BASIC>
-5.244106641108563

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
94.53269999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.74e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
rapanone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      22.673 -14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      24.006 -13.860   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      24.006 -12.320   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      25.340 -14.630   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      26.674 -13.860   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      24.006 -18.480   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      21.339 -16.940   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   14   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₃₀O₄

Average Mass

322.4450 Da

Monoisotopic Mass

322.21441 Da

IUPAC Name

2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione

Traditional Name

rapanone

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

InChI Identifier

InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3

InChI Key

AMKNOBHCKRZHIO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aegiceras corniculatum	Plant	KNApSAcK
Ardisia crenata	LOTUS Database	35616633
Ardisia japonica	LOTUS Database	35616633
Ardisia oxyphylla	LOTUS Database	35616633
Ardisia spp.	Plant	KNApSAcK
Badula barthesia	LOTUS Database	35616633
Connarus monocarpus	Plant	KNApSAcK
Embelia ribes	LOTUS Database	35616633
Embelia schimperi	LOTUS Database	35616633
Heliotropium indicum Ardisia crenata	Plant	KNApSAcK
Myrsine spp.	Plant	KNApSAcK
Oxalis purpurata	Plant	KNApSAcK
Rapanea laetevirens	Plant	KNApSAcK
Rapanea maximowiczii	Plant	KNApSAcK
Rourea santaloides	Plant	KNApSAcK
Tapeinosperma pseudojambosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

P-benzoquinones

Alternative Parents

Substituents

P-benzoquinone
Vinylogous acid
Enol
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

p-quinone (CHEBI:8779 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.16	ALOGPS
logP	5.72	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	5.36	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	94.53 m³·mol⁻¹	ChemAxon
Polarizability	38.64 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002860

Chemspider ID

Not Available

KEGG Compound ID

C10399

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100659

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Rapanone (NP0051638)

MOL for NP0051638 (Rapanone)

3D MOL for NP0051638 (Rapanone)

3D SDF for NP0051638 (Rapanone)

3D-SDF for NP0051638 (Rapanone)

PDB for NP0051638 (Rapanone)

3D PDB for NP0051638 (Rapanone)

SMILES for NP0051638 (Rapanone)

INCHI for NP0051638 (Rapanone)

Structure for NP0051638 (Rapanone)

3D Structure for NP0051638 (Rapanone)